2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile

C15H13N3O2 — CID 604935

IUPAC2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccncc1
InChIInChI=1S/C15H13N3O2/c16-8-10-13(9-4-6-18-7-5-9)14-11(19)2-1-3-12(14)20-15(10)17/h4-7,13H,1-3,17H2
InChIKeyICBVILGCZXVNDT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.90
Rot. Bonds1

About 2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile

2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 604935) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID604935
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccncc1
InChIInChI=1S/C15H13N3O2/c16-8-10-13(9-4-6-18-7-5-9)14-11(19)2-1-3-12(14)20-15(10)17/h4-7,13H,1-3,17H2
InChIKeyICBVILGCZXVNDT-UHFFFAOYSA-N
XLogP1.90
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 612574
5-Acetyl-2-amino-6-methyl-4-(3-pyridinyl)-4H-pyran-3-carbonitrile
CID 2831029
2-Amino-4-(1-methyl-1H-pyrrol-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 3757409
5-Phenyl-2-{[(pyridin-4-ylmethyl)amino]methylidene}cyclohexane-1,3-dione
CID 135447670
2-amino-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 604910
ethyl 2-amino-3-cyano-6-methyl-5-(pyridin-4-yl)-4H-pyran-4-carboxylate
CID 657486
5-acetyl-2-amino-6-methyl-4-(pyridin-4-yl)-4H-pyran-3-carbonitrile
CID 660976
2-Amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 2839577
2-amino-7,7-dimethyl-4-(1-methylpyrrol-2-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 3156327
methyl 2-amino-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 3156347
methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(pyridin-4-yl)-4H-pyran-3-carboxylate
CID 658352
2-amino-5,10-dioxo-4-(pyridin-3-yl)-5,10-dihydro-4H-benzo[g]chromene-3-carbonitrile
CID 2844707

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 604935) is 2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile is N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccncc1.
What is the InChIKey of 2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is ICBVILGCZXVNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-8-10-13(9-4-6-18-7-5-9)14-11(19)2-1-3-12(14)20-15(10)17/h4-7,13H,1-3,17H2.
What are the key properties of 2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 267.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 604935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).